The interfacial thermal conductance spectrum in nonequilibrium molecular dynamics simulations considering anharmonicity, asymmetry and quantum effects
Yixin Xu, Lina Yang, Yanguang Zhou
Abstract
, Si/Ge interfaces. Our study here systematically investigates the influence of anharmonicity, asymmetry, and quantum effects on the ITC spectrum, which is critical for designing and optimizing interfaces for better performance.
Topics & Concepts
AnharmonicityPhononCondensed matter physicsHamiltonian (control theory)AsymmetryScatteringMolecular vibrationMolecular dynamicsThermal conductivityArgonQuantumNon-equilibrium thermodynamicsPhysicsRaman spectroscopyAtomic physicsQuantum mechanicsMathematicsMathematical optimizationThermal properties of materialsAdvanced Thermoelectric Materials and DevicesThermal Radiation and Cooling Technologies